4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane

C198H141N8P — CID 158789945

IUPAC4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane
SMILESC(=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccc(N(c2ccc(C=C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)c2ccc(C=C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(P(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.C(=C(c1ccncc1)c1ccncc1)c1ccc(N(c2ccc(C=C(c3ccncc3)c3ccncc3)cc2)c2ccc(C=C(c3ccncc3)c3ccncc3)cc2)cc1
InChIInChI=1S/C84H57N.C60H45P.C54H39N7/c1-7-19-67-52-73(37-31-61(67)13-1)82(74-38-32-62-14-2-8-20-68(62)53-74)49-58-25-43-79(44-26-58)85(80-45-27-59(28-46-80)50-83(75-39-33-63-15-3-9-21-69(63)54-75)76-40-34-64-16-4-10-22-70(64)55-76)81-47-29-60(30-48-81)51-84(77-41-35-65-17-5-11-23-71(65)56-77)78-42-36-66-18-6-12-24-72(66)57-78;1-7-19-49(20-8-1)58(50-21-9-2-10-22-50)43-46-31-37-55(38-32-46)61(56-39-33-47(34-40-56)44-59(51-23-11-3-12-24-51)52-25-13-4-14-26-52)57-41-35-48(36-42-57)45-60(53-27-15-5-16-28-53)54-29-17-6-18-30-54;1-7-49(8-2-40(1)37-52(43-13-25-55-26-14-43)44-15-27-56-28-16-44)61(50-9-3-41(4-10-50)38-53(45-17-29-57-30-18-45)46-19-31-58-32-20-46)51-11-5-42(6-12-51)39-54(47-21-33-59-34-22-47)48-23-35-60-36-24-48/h1-57H;1-45H;1-39H
InChIKeyISDMIYGQKDUJJT-UHFFFAOYSA-N
MW2663.34 g/mol
LogP49.35
Rot. Bonds36

About 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane

4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane (PubChem CID 158789945) has the molecular formula C198H141N8P and a molecular weight of 2663.34 g/mol. Its IUPAC name is 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane.

Molecular Properties

Compound Name4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane
PubChem CID158789945
Molecular FormulaC198H141N8P
Molecular Weight2663.34 g/mol
Exact Mass2661.10
IUPAC Name4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane
SMILESC(=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccc(N(c2ccc(C=C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)c2ccc(C=C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(P(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.C(=C(c1ccncc1)c1ccncc1)c1ccc(N(c2ccc(C=C(c3ccncc3)c3ccncc3)cc2)c2ccc(C=C(c3ccncc3)c3ccncc3)cc2)cc1
InChIInChI=1S/C84H57N.C60H45P.C54H39N7/c1-7-19-67-52-73(37-31-61(67)13-1)82(74-38-32-62-14-2-8-20-68(62)53-74)49-58-25-43-79(44-26-58)85(80-45-27-59(28-46-80)50-83(75-39-33-63-15-3-9-21-69(63)54-75)76-40-34-64-16-4-10-22-70(64)55-76)81-47-29-60(30-48-81)51-84(77-41-35-65-17-5-11-23-71(65)56-77)78-42-36-66-18-6-12-24-72(66)57-78;1-7-19-49(20-8-1)58(50-21-9-2-10-22-50)43-46-31-37-55(38-32-46)61(56-39-33-47(34-40-56)44-59(51-23-11-3-12-24-51)52-25-13-4-14-26-52)57-41-35-48(36-42-57)45-60(53-27-15-5-16-28-53)54-29-17-6-18-30-54;1-7-49(8-2-40(1)37-52(43-13-25-55-26-14-43)44-15-27-56-28-16-44)61(50-9-3-41(4-10-50)38-53(45-17-29-57-30-18-45)46-19-31-58-32-20-46)51-11-5-42(6-12-51)39-54(47-21-33-59-34-22-47)48-23-35-60-36-24-48/h1-57H;1-45H;1-39H
InChIKeyISDMIYGQKDUJJT-UHFFFAOYSA-N
XLogP49.35
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002663.34
LogP ≤ 549.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane?
The IUPAC name of 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane (CID 158789945) is 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane.
What is the SMILES notation for 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane?
The canonical SMILES for 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane is C(=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccc(N(c2ccc(C=C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)c2ccc(C=C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(P(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.C(=C(c1ccncc1)c1ccncc1)c1ccc(N(c2ccc(C=C(c3ccncc3)c3ccncc3)cc2)c2ccc(C=C(c3ccncc3)c3ccncc3)cc2)cc1.
What is the InChIKey of 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane?
The InChIKey is ISDMIYGQKDUJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57N.C60H45P.C54H39N7/c1-7-19-67-52-73(37-31-61(67)13-1)82(74-38-32-62-14-2-8-20-68(62)53-74)49-58-25-43-79(44-26-58)85(80-45-27-59(28-46-80)50-83(75-39-33-63-15-3-9-21-69(63)54-75)76-40-34-64-16-4-10-22-70(64)55-76)81-47-29-60(30-48-81)51-84(77-41-35-65-17-5-11-23-71(65)56-77)78-42-36-66-18-6-12-24-72(66)57-78;1-7-19-49(20-8-1)58(50-21-9-2-10-22-50)43-46-31-37-55(38-32-46)61(56-39-33-47(34-40-56)44-59(51-23-11-3-12-24-51)52-25-13-4-14-26-52)57-41-35-48(36-42-57)45-60(53-27-15-5-16-28-53)54-29-17-6-18-30-54;1-7-49(8-2-40(1)37-52(43-13-25-55-26-14-43)44-15-27-56-28-16-44)61(50-9-3-41(4-10-50)38-53(45-17-29-57-30-18-45)46-19-31-58-32-20-46)51-11-5-42(6-12-51)39-54(47-21-33-59-34-22-47)48-23-35-60-36-24-48/h1-57H;1-45H;1-39H.
What are the key properties of 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane?
4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane has a molecular weight of 2663.34 g/mol, XLogP of 49.35, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dinaphthalen-2-ylethenyl)-N,N-bis[4-(2,2-dinaphthalen-2-ylethenyl)phenyl]aniline;4-(2,2-dipyridin-4-ylethenyl)-N,N-bis[4-(2,2-dipyridin-4-ylethenyl)phenyl]aniline;tris[4-(2,2-diphenylethenyl)phenyl]phosphane is sourced from PubChem (CID 158789945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).